SCHEMBL8760134

SCHEMBL8760134

CCc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.38
DHFR P00374 1/20 0.32
TYMS P04818 1/20 0.32
PNP P00491 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8760861 0.89 GAA (0.32) UPP1DHFRTYMSPNP
SCHEMBL8760930 0.88 UPP1 (0.38) UPP1
SCHEMBL9851436 0.87 UPP1 (0.37) UPP1PNP
SCHEMBL8760090 0.84 UPP1 (0.49) UPP1
SCHEMBL8760223 0.77 HTT (0.33) UPP1PNP
SCHEMBL9353768 0.77 UPP1 (0.39) UPP1TYMS
SCHEMBL8760255 0.74 UPP1 (0.40) UPP1PNPSMN1; SMN2
SCHEMBL6085656 0.73 SMN1; SMN2 (0.33) DHFRTYMSSMN1; SMN2
SCHEMBL9357336 0.73 UPP1 (0.58) UPP1SMN1; SMN2
SCHEMBL599846 0.72 ALDH1A1 (0.41) UPP1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449726-B1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient MITSUBISHI CHEM CORP (JP) 1997-06-11 EP claimed
EP-0449726-B1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient MITSUBISHI CHEM CORP (JP) 1997-06-11 EP disclosed
US-5318972-A Active against retroviruses, human t-cell leukemia/lymphoma viruses MITSUBISHI KASEI CORPORATION (JP) 1994-06-07 US disclosed
EP-0449726-A1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient Mitsubishi Chemical Corporation (JP) 1991-10-02 EP disclosed